N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide

C16H23N3O2 — CID 119498752

IUPACN-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
SMILESCC(N)CCNC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-12(17)9-10-18-15(20)14-8-5-11-19(14)16(21)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,20)
InChIKeyFEEJWMJPVNOLNM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.14
Rot. Bonds5

About N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide

N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide (PubChem CID 119498752) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
PubChem CID119498752
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
SMILESCC(N)CCNC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-12(17)9-10-18-15(20)14-8-5-11-19(14)16(21)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,20)
InChIKeyFEEJWMJPVNOLNM-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
(2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 101140521

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide (CID 119498752) is N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide is CC(N)CCNC(=O)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide?
The InChIKey is FEEJWMJPVNOLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(17)9-10-18-15(20)14-8-5-11-19(14)16(21)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide?
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119498752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).